7COK
Crystal structure of ligand-free form of 5-ketofructose reductase of Gluconobacter sp. strain CHM43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-23 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.527, 63.475, 93.919 |
Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
Resolution | 41.450 - 1.500 |
R-factor | 0.2331 |
Rwork | 0.232 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nvt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.387 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 93.751 | 41.453 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.057 | 0.510 | |
Rmeas | 0.107 | 0.065 | 0.577 |
Rpim | 0.050 | 0.030 | 0.266 |
Total number of observations | 351914 | 11282 | 53236 |
Number of reflections | 77600 | 2522 | 11341 |
<I/σ(I)> | 9.4 | 18.4 | 3.6 |
Completeness [%] | 99.5 | 98.8 | 99.8 |
Redundancy | 4.5 | 4.5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG3350, HEPES-Na, calcium acetate, ethylene glycol, 1,4-butanediol |